BDBM50134592 CHEMBL3746673

SMILES: CCOC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1

InChI Key: InChIKey=CPDLXBDVVJCDEQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134592   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50134592 (CHEMBL3746673) Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 Show InChI InChI=1S/C22H23F2N5O4/c1-3-32-22(31)29-8-6-15(7-9-29)26-21-25-12-13-10-18(20(30)28(2)19(13)27-21)33-17-5-4-14(23)11-16(17)24/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair